Compound Detail
CHEMBL230259
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Nc1ccccc1C(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL230259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCJXONGEWJNZQV-PMERELPUSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
573.7
MW (Da)
6.66
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.0
IC50 1 meas. best 5.8
Ki 1 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 6.86 | 6.86 | 138.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 138.04 | nM | 6.86 | Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay | 17533125 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1000.0 | nM | 6.0 | Transactivation of human PPARgamma in CV-1 cells by GAL4 reporter assay | 17533125 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 1584.89 | nM | 5.8 | Inhibition of BRL-49653 stimulated human PPARgamma transactivation in CV-1 cells... | 17533125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17533125 | 10.1016/j.bmcl.2007.04.111 | Peroxisome proliferator-activated receptor gamma | 5 |
| 17533125 | 10.1016/j.bmcl.2007.04.111 | Unchecked | 1 |
| 17533125 | 10.1016/j.bmcl.2007.04.111 | PPAR delta/gamma | 1 |
Data from ChEMBL 36 via Core Engine